SCHEMBL919604

SCHEMBL919604

[c]1cccc(OCCCC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
KCNA3 P22001 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
IDO1 P14902 1/20 0.31
ALOX12 P18054 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL921719 0.95 KCNA3 (0.38) HRH3KCNA3NFE2L2HPGDGPR119
SCHEMBL920509 0.94 KCNA3 (0.37) HRH3KCNA3NFE2L2HPGDGPR119
SCHEMBL920964 0.94 KCNA3 (0.37) HRH3KCNA3NFE2L2HPGDGPR119
SCHEMBL919876 0.94 KCNA3 (0.37) HRH3KCNA3NFE2L2HPGDGPR119
SCHEMBL919801 0.92 NFE2L2 (0.42) NFE2L2HPGDTEAD1TEAD3IDO1
SCHEMBL8970937 0.82 NPY1R (0.42) HRH3
SCHEMBL3174283 0.81 NFE2L2 (0.38) NFE2L2TEAD1TEAD3
SCHEMBL687720 0.81 PARP15 (0.41) SIGMAR1
SCHEMBL5704638 0.80 KCNA3 (0.42) KCNA3
SCHEMBL920652 0.79 HRH3 (0.45) HRH3KCNA3NFE2L2HPGDGPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HRH3 1529/4885KCNA3 2546/4885NFE2L2 1424/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HRH3 14/4885KCNA3 1509/4885NFE2L2 2195/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.